9H-3-benzazepine-8-sulfonyl fluoride

C10H8FNO2S — CID 87964243

IUPAC9H-3-benzazepine-8-sulfonyl fluoride
SMILESO=S(=O)(F)C1=CC=C2C=CN=CC=C2C1
InChIInChI=1S/C10H8FNO2S/c11-15(13,14)10-2-1-8-3-5-12-6-4-9(8)7-10/h1-6H,7H2
InChIKeyATCSZURMMNDEKM-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.02
Rot. Bonds1

About 9H-3-benzazepine-8-sulfonyl fluoride

9H-3-benzazepine-8-sulfonyl fluoride (PubChem CID 87964243) has the molecular formula C10H8FNO2S and a molecular weight of 225.24 g/mol. Its IUPAC name is 9H-3-benzazepine-8-sulfonyl fluoride.

Molecular Properties

Compound Name9H-3-benzazepine-8-sulfonyl fluoride
PubChem CID87964243
Molecular FormulaC10H8FNO2S
Molecular Weight225.24 g/mol
Exact Mass225.03
IUPAC Name9H-3-benzazepine-8-sulfonyl fluoride
SMILESO=S(=O)(F)C1=CC=C2C=CN=CC=C2C1
InChIInChI=1S/C10H8FNO2S/c11-15(13,14)10-2-1-8-3-5-12-6-4-9(8)7-10/h1-6H,7H2
InChIKeyATCSZURMMNDEKM-UHFFFAOYSA-N
XLogP2.02
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-3-benzazepine-8-sulfonyl fluoride?
The IUPAC name of 9H-3-benzazepine-8-sulfonyl fluoride (CID 87964243) is 9H-3-benzazepine-8-sulfonyl fluoride.
What is the SMILES notation for 9H-3-benzazepine-8-sulfonyl fluoride?
The canonical SMILES for 9H-3-benzazepine-8-sulfonyl fluoride is O=S(=O)(F)C1=CC=C2C=CN=CC=C2C1.
What is the InChIKey of 9H-3-benzazepine-8-sulfonyl fluoride?
The InChIKey is ATCSZURMMNDEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S/c11-15(13,14)10-2-1-8-3-5-12-6-4-9(8)7-10/h1-6H,7H2.
What are the key properties of 9H-3-benzazepine-8-sulfonyl fluoride?
9H-3-benzazepine-8-sulfonyl fluoride has a molecular weight of 225.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-3-benzazepine-8-sulfonyl fluoride is sourced from PubChem (CID 87964243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).